Geometry & MOs

Info

ID:	449021
PubChem CID:	135295281
Reduced:	SN5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	389.232794
ΔH_f, kcal/mol:	99.85
Dipole, Da:	1.54
IP(EA), eV:	-8.63(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(5-methyl-4,5-dihydro-1H-pyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-3H-pyrrolo[3,2-b]pyridin-2-amine

Drug info:

PubChemData

Smile

C[C@H]1CCCN1CC2=CC(=NC=C2)NC3=NC4=C(S3)C=C(C=C4)C5CC=NC=C5

DOS

IR

Vibrations